4-amino-2H-pyrrolo[2,3-c]quinolin-9-ol;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine

C86H106N22O11 — CID 159110651

IUPAC4-amino-2H-pyrrolo[2,3-c]quinolin-9-ol;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3cccc(OC4CCNC4)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OC4CCNCC4)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OC4CCOC4)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OCCN4CCOCC4)c3c2n1C.Nc1nc2cccc(O)c2c2c1=NCC=2
InChIInChI=1S/C20H27N5O3.C19H25N5O2.C18H23N5O2.C18H22N4O3.C11H9N3O/c1-3-26-13-16-23-18-19(24(16)2)17-14(22-20(18)21)5-4-6-15(17)28-12-9-25-7-10-27-11-8-25;1-3-25-11-15-23-17-18(24(15)2)16-13(22-19(17)20)5-4-6-14(16)26-12-7-9-21-10-8-12;1-3-24-10-14-22-16-17(23(14)2)15-12(21-18(16)19)5-4-6-13(15)25-11-7-8-20-9-11;1-3-23-10-14-21-16-17(22(14)2)15-12(20-18(16)19)5-4-6-13(15)25-11-7-8-24-9-11;12-11-10-6(4-5-13-10)9-7(14-11)2-1-3-8(9)15/h4-6H,3,7-13H2,1-2H3,(H2,21,22);4-6,12,21H,3,7-11H2,1-2H3,(H2,20,22);4-6,11,20H,3,7-10H2,1-2H3,(H2,19,21);4-6,11H,3,7-10H2,1-2H3,(H2,19,20);1-4,15H,5H2,(H2,12,14)
InChIKeyKELDCWWXQXVCAS-UHFFFAOYSA-N
MW1623.94 g/mol
LogP8.65
Rot. Bonds22

About 4-amino-2H-pyrrolo[2,3-c]quinolin-9-ol;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine

4-amino-2H-pyrrolo[2,3-c]quinolin-9-ol;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine (PubChem CID 159110651) has the molecular formula C86H106N22O11 and a molecular weight of 1623.94 g/mol. Its IUPAC name is 4-amino-2H-pyrrolo[2,3-c]quinolin-9-ol;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name4-amino-2H-pyrrolo[2,3-c]quinolin-9-ol;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine
PubChem CID159110651
Molecular FormulaC86H106N22O11
Molecular Weight1623.94 g/mol
Exact Mass1622.84
IUPAC Name4-amino-2H-pyrrolo[2,3-c]quinolin-9-ol;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3cccc(OC4CCNC4)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OC4CCNCC4)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OC4CCOC4)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OCCN4CCOCC4)c3c2n1C.Nc1nc2cccc(O)c2c2c1=NCC=2
InChIInChI=1S/C20H27N5O3.C19H25N5O2.C18H23N5O2.C18H22N4O3.C11H9N3O/c1-3-26-13-16-23-18-19(24(16)2)17-14(22-20(18)21)5-4-6-15(17)28-12-9-25-7-10-27-11-8-25;1-3-25-11-15-23-17-18(24(15)2)16-13(22-19(17)20)5-4-6-14(16)26-12-7-9-21-10-8-12;1-3-24-10-14-22-16-17(23(14)2)15-12(21-18(16)19)5-4-6-13(15)25-11-7-8-20-9-11;1-3-23-10-14-21-16-17(22(14)2)15-12(20-18(16)19)5-4-6-13(15)25-11-7-8-24-9-11;12-11-10-6(4-5-13-10)9-7(14-11)2-1-3-8(9)15/h4-6H,3,7-13H2,1-2H3,(H2,21,22);4-6,12,21H,3,7-11H2,1-2H3,(H2,20,22);4-6,11,20H,3,7-10H2,1-2H3,(H2,19,21);4-6,11H,3,7-10H2,1-2H3,(H2,19,20);1-4,15H,5H2,(H2,12,14)
InChIKeyKELDCWWXQXVCAS-UHFFFAOYSA-N
XLogP8.65
TPSA418.02 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds22
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001623.94
LogP ≤ 58.65
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Analyze 4-amino-2H-pyrrolo[2,3-c]quinolin-9-ol;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine with MolForge

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Related Compounds

4-(6-Aminopurin-9-yl)-2-[[2-[2-[[9-[2-[2-[(6-aminopurin-9-yl)methoxy]ethylamino]ethyl]-8-[[9-[2-[2-[(6-aminopurin-9-yl)methoxy]ethylamino]ethyl]-7-(trifluoromethyl)carbazol-3-yl]methyl]carbazol-3-yl]methoxy]-7-methylcarbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
CID 139448107
3,3-difluoro-1-methylpiperidin-4-ol;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]quinazolin-4-amine;5-fluoro-N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]quinazolin-4-amine
CID 158335641
2-(6-Aminopurin-9-yl)-5-[[2-(2,6-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(2-fluoro-6-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(5-methoxy-2-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[6-methyl-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
CID 159833477
Bis(2-[[2-(2,5-dimethylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol);2-[[2-(2,6-dimethylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(2-fluoro-6-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;bis(2-[[2-(5-methoxy-2-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol);2-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(6-methylpurin-9-yl)-5-[[2-[6-methyl-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
CID 161265328
7-(2,2-difluoroethoxy)-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(1,4-dioxan-2-ylmethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-1,5-naphthyridin-4-amine;methane
CID 161951266
N-[[(1R)-2,2-difluoro-1-methylcyclopropyl]methyl]-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-N-(1H-indol-3-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(3R)-3-(3-methylbutyl)oxan-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;(3S,4R)-4-[[(1R)-1-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]ethyl]amino]oxolan-3-ol
CID 163437670
N-cyclopent-2-en-1-yl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;(1S,2S)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-1-(dimethylamino)butan-1-ol;1-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]ethanol;1-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-2,2,2-trifluoroethanol
CID 163498919
[(16S)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]methanol;(16R)-16-(phenoxymethyl)-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine
CID 67434767
2-[9-[2-[2-[(1-Methylpiperidin-4-yl)amino]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-yloxy]-2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol
CID 134364702
2-[4-Amino-2-ethyl-1-[1-[[2-ethyl-7-hydroxy-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-hydroxy-2-methylpropyl]imidazo[4,5-c]quinolin-7-yl]oxy-1-morpholin-4-ylethanone
CID 136448633
2-(Ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine
CID 141727341
2-(Ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine
CID 141727342

Frequently Asked Questions

What is the IUPAC name of 4-amino-2H-pyrrolo[2,3-c]quinolin-9-ol;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 4-amino-2H-pyrrolo[2,3-c]quinolin-9-ol;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine (CID 159110651) is 4-amino-2H-pyrrolo[2,3-c]quinolin-9-ol;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 4-amino-2H-pyrrolo[2,3-c]quinolin-9-ol;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 4-amino-2H-pyrrolo[2,3-c]quinolin-9-ol;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine is CCOCc1nc2c(N)nc3cccc(OC4CCNC4)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OC4CCNCC4)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OC4CCOC4)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OCCN4CCOCC4)c3c2n1C.Nc1nc2cccc(O)c2c2c1=NCC=2.
What is the InChIKey of 4-amino-2H-pyrrolo[2,3-c]quinolin-9-ol;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine?
The InChIKey is KELDCWWXQXVCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3.C19H25N5O2.C18H23N5O2.C18H22N4O3.C11H9N3O/c1-3-26-13-16-23-18-19(24(16)2)17-14(22-20(18)21)5-4-6-15(17)28-12-9-25-7-10-27-11-8-25;1-3-25-11-15-23-17-18(24(15)2)16-13(22-19(17)20)5-4-6-14(16)26-12-7-9-21-10-8-12;1-3-24-10-14-22-16-17(23(14)2)15-12(21-18(16)19)5-4-6-13(15)25-11-7-8-20-9-11;1-3-23-10-14-21-16-17(22(14)2)15-12(20-18(16)19)5-4-6-13(15)25-11-7-8-24-9-11;12-11-10-6(4-5-13-10)9-7(14-11)2-1-3-8(9)15/h4-6H,3,7-13H2,1-2H3,(H2,21,22);4-6,12,21H,3,7-11H2,1-2H3,(H2,20,22);4-6,11,20H,3,7-10H2,1-2H3,(H2,19,21);4-6,11H,3,7-10H2,1-2H3,(H2,19,20);1-4,15H,5H2,(H2,12,14).
What are the key properties of 4-amino-2H-pyrrolo[2,3-c]quinolin-9-ol;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine?
4-amino-2H-pyrrolo[2,3-c]quinolin-9-ol;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine has a molecular weight of 1623.94 g/mol, XLogP of 8.65, 22 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2H-pyrrolo[2,3-c]quinolin-9-ol;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 159110651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).